CID 3838134

Tert-butyl n-(3-hydroxypropyl)carbamate

Structural Information

Molecular Formula
C8H17NO3
SMILES
CC(C)(C)OC(=O)NCCCO
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)
InChIKey
XDJCYKMWJCYQJM-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3077
Patents

175.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.128126 141.0
[M+Na]+ 198.110068 146.7
[M-H]- 174.113574 139.9
[M+NH4]+ 193.154673 160.6
[M+K]+ 214.084008 146.7
[M+H-H2O]+ 158.118110 136.4
[M+HCOO]- 220.119051 162.1
[M+CH3COO]- 234.134701 179.6
[M+Na-2H]- 196.095516 146.1
[M]+ 175.12030142 142.5
[M]- 175.12139858 142.5
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