CID 11117758

431058-52-5

Structural Information

Molecular Formula
C12H22N2O2
SMILES
CC(C)(C)OC(=O)NC1(CC1)[C@@H]2CCNC2
InChI
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-12(5-6-12)9-4-7-13-8-9/h9,13H,4-8H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKey
QJTCVIHNVLALCL-SECBINFHSA-N
Compound name
tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

226.16812 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.17540 153.9
[M+Na]+ 249.15734 159.9
[M-H]- 225.16084 158.1
[M+NH4]+ 244.20194 168.5
[M+K]+ 265.13128 157.5
[M+H-H2O]+ 209.16538 148.6
[M+HCOO]- 271.16632 171.6
[M+CH3COO]- 285.18197 189.5
[M+Na-2H]- 247.14279 157.6
[M]+ 226.16757 153.3
[M]- 226.16867 153.3
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