CID 4351

Tert-butyl n-(4-aminobutyl)carbamate

Structural Information

Molecular Formula
C9H20N2O2
SMILES
CC(C)(C)OC(=O)NCCCCN
InChI
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)
InChIKey
ZFQWJXFJJZUVPI-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-aminobutyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3023
Patents

188.15248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.15976 146.4
[M+Na]+ 211.14170 151.3
[M-H]- 187.14520 145.9
[M+NH4]+ 206.18630 165.5
[M+K]+ 227.11564 151.1
[M+H-H2O]+ 171.14974 141.0
[M+HCOO]- 233.15068 168.8
[M+CH3COO]- 247.16633 187.5
[M+Na-2H]- 209.12715 150.6
[M]+ 188.15193 146.9
[M]- 188.15303 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe