CID 167737226

Tert-butyl n-[1-(3-aminopropyl)pyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC(C)(C)OC(=O)NC1CCN(C1)CCCN
InChI
InChI=1S/C12H25N3O2/c1-12(2,3)17-11(16)14-10-5-8-15(9-10)7-4-6-13/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKey
LWEMFVGEGVGGAO-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-(3-aminopropyl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 160.9
[M+Na]+ 266.18389 164.5
[M-H]- 242.18739 161.8
[M+NH4]+ 261.22849 178.1
[M+K]+ 282.15783 163.5
[M+H-H2O]+ 226.19193 154.0
[M+HCOO]- 288.19287 180.5
[M+CH3COO]- 302.20852 196.6
[M+Na-2H]- 264.16934 162.0
[M]+ 243.19412 158.8
[M]- 243.19522 158.8
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.