CID 2756377

N-(4-aminobutyl)-n-methyl carbamic acid tert-butyl ester

Structural Information

Molecular Formula
C10H22N2O2
SMILES
CC(C)(C)OC(=O)N(C)CCCCN
InChI
InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12(4)8-6-5-7-11/h5-8,11H2,1-4H3
InChIKey
CIZQQISFIQZTDF-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-aminobutyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

202.16812 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.17540 150.8
[M+Na]+ 225.15734 155.5
[M-H]- 201.16084 151.7
[M+NH4]+ 220.20194 170.1
[M+K]+ 241.13128 156.5
[M+H-H2O]+ 185.16538 145.1
[M+HCOO]- 247.16632 173.4
[M+CH3COO]- 261.18197 194.0
[M+Na-2H]- 223.14279 153.8
[M]+ 202.16757 153.0
[M]- 202.16867 153.0
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