CID 4184071

Carbamic acid, (6-hydroxyhexyl)-, phenylmethyl ester

Structural Information

Molecular Formula
C14H21NO3
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCCO
InChI
InChI=1S/C14H21NO3/c16-11-7-2-1-6-10-15-14(17)18-12-13-8-4-3-5-9-13/h3-5,8-9,16H,1-2,6-7,10-12H2,(H,15,17)
InChIKey
JMOQYRXPJQMWRQ-UHFFFAOYSA-N
Compound name
benzyl N-(6-hydroxyhexyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

426
Patents

251.15215 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15943 160.2
[M+Na]+ 274.14137 164.1
[M-H]- 250.14487 161.4
[M+NH4]+ 269.18597 176.1
[M+K]+ 290.11531 161.5
[M+H-H2O]+ 234.14941 153.0
[M+HCOO]- 296.15035 182.5
[M+CH3COO]- 310.16600 193.4
[M+Na-2H]- 272.12682 164.3
[M]+ 251.15160 162.1
[M]- 251.15270 162.1
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