CID 135394938

Tert-butyl n-(6-(aminomethyl)spiro(3.3)heptan-2-yl)carbamate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(C2)CN
InChI
InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-10-6-13(7-10)4-9(5-13)8-14/h9-10H,4-8,14H2,1-3H3,(H,15,16)
InChIKey
VCIWVIGZUGVCGC-UHFFFAOYSA-N
Compound name
tert-butyl N-[6-(aminomethyl)spiro[3.3]heptan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18378 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 159.6
[M+Na]+ 263.17300 160.6
[M-H]- 239.17650 163.7
[M+NH4]+ 258.21760 165.2
[M+K]+ 279.14694 165.5
[M+H-H2O]+ 223.18104 144.6
[M+HCOO]- 285.18198 175.3
[M+CH3COO]- 299.19763 207.4
[M+Na-2H]- 261.15845 161.3
[M]+ 240.18323 173.3
[M]- 240.18433 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.