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]+ 229.191056 155.2
[M+Na]+ 251.172998 159.8
[M-H]- 227.176504 157.8
[M+NH4]+ 246.217603 176.4
[M+K]+ 267.146938 158.9
[M+H-H2O]+ 211.181040 150.6
[M+HCOO]- 273.181981 176.0
[M+CH3COO]- 287.197631 193.5
[M+Na-2H]- 249.158446 157.7
[M]+ 228.18323142 152.9
[M]- 228.18432858 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.