CID 11309987

Tert-butyl n-[3-(methylamino)propyl]carbamate

Structural Information

Molecular Formula
C9H20N2O2
SMILES
CC(C)(C)OC(=O)NCCCNC
InChI
InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-6-10-4/h10H,5-7H2,1-4H3,(H,11,12)
InChIKey
YIMSPDZAVBIXRT-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(methylamino)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

339
Patents

188.15248 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.159756 146.1
[M+Na]+ 211.141698 151.0
[M-H]- 187.145204 146.2
[M+NH4]+ 206.186303 165.5
[M+K]+ 227.115638 151.1
[M+H-H2O]+ 171.149740 140.7
[M+HCOO]- 233.150681 169.1
[M+CH3COO]- 247.166331 188.2
[M+Na-2H]- 209.127146 151.4
[M]+ 188.15193142 147.6
[M]- 188.15302858 147.6
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