CID 11962832

347185-71-1

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)CN
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-9-5-4-8(6-9)7-12/h8-9H,4-7,12H2,1-3H3,(H,13,14)/t8-,9+/m0/s1
InChIKey
IHGSPMZBMBIGHI-DTWKUNHWSA-N
Compound name
tert-butyl N-[(1R,3S)-3-(aminomethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

214.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 152.3
[M+Na]+ 237.15734 156.4
[M-H]- 213.16084 154.8
[M+NH4]+ 232.20194 172.1
[M+K]+ 253.13128 155.6
[M+H-H2O]+ 197.16538 146.6
[M+HCOO]- 259.16632 173.5
[M+CH3COO]- 273.18197 190.9
[M+Na-2H]- 235.14279 153.9
[M]+ 214.16757 149.3
[M]- 214.16867 149.3
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

patents stripe