CID 4456136

Tert-butyl n-(5-hydroxypentyl)carbamate

Structural Information

Molecular Formula
C10H21NO3
SMILES
CC(C)(C)OC(=O)NCCCCCO
InChI
InChI=1S/C10H21NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8-12/h12H,4-8H2,1-3H3,(H,11,13)
InChIKey
DDGNGFVNTZJMMZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-hydroxypentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

668
Patents

203.15215 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.15943 150.2
[M+Na]+ 226.14137 155.1
[M-H]- 202.14487 148.7
[M+NH4]+ 221.18597 168.6
[M+K]+ 242.11531 154.6
[M+H-H2O]+ 186.14941 145.2
[M+HCOO]- 248.15035 170.6
[M+CH3COO]- 262.16600 185.6
[M+Na-2H]- 224.12682 154.3
[M]+ 203.15160 152.5
[M]- 203.15270 152.5
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