CID 16740860

Tert-butyl n-[1-(aminomethyl)cycloheptyl]carbamate

Structural Information

Molecular Formula
C13H26N2O2
SMILES
CC(C)(C)OC(=O)NC1(CCCCCC1)CN
InChI
InChI=1S/C13H26N2O2/c1-12(2,3)17-11(16)15-13(10-14)8-6-4-5-7-9-13/h4-10,14H2,1-3H3,(H,15,16)
InChIKey
RSFBSPVFWOQBJQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(aminomethyl)cycloheptyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.19943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.20671 155.3
[M+Na]+ 265.18865 156.0
[M-H]- 241.19215 158.2
[M+NH4]+ 260.23325 172.4
[M+K]+ 281.16259 159.7
[M+H-H2O]+ 225.19669 149.7
[M+HCOO]- 287.19763 173.0
[M+CH3COO]- 301.21328 196.6
[M+Na-2H]- 263.17410 158.6
[M]+ 242.19888 148.0
[M]- 242.19998 148.0
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.