CID 155973367

2648938-82-1

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC1(CCC(C1)N)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-11(2,3)16-10(15)14-8-12(4)6-5-9(13)7-12/h9H,5-8,13H2,1-4H3,(H,14,15)
InChIKey
YXWMUZROFHMUBK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-amino-1-methylcyclopentyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 155.2
[M+Na]+ 251.17300 159.8
[M-H]- 227.17650 157.8
[M+NH4]+ 246.21760 176.4
[M+K]+ 267.14694 158.9
[M+H-H2O]+ 211.18104 150.6
[M+HCOO]- 273.18198 176.0
[M+CH3COO]- 287.19763 193.5
[M+Na-2H]- 249.15845 157.7
[M]+ 228.18323 152.9
[M]- 228.18433 152.9
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.