CID 4072414

5-(z-amino)-1-pentanol

Structural Information

Molecular Formula
C13H19NO3
SMILES
C1=CC=C(C=C1)COC(=O)NCCCCCO
InChI
InChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16)
InChIKey
TYIYHFWLYLHCHY-UHFFFAOYSA-N
Compound name
benzyl N-(5-hydroxypentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

237.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.7
[M+Na]+ 260.12571 160.0
[M-H]- 236.12921 157.1
[M+NH4]+ 255.17031 172.2
[M+K]+ 276.09965 157.6
[M+H-H2O]+ 220.13375 148.6
[M+HCOO]- 282.13469 178.3
[M+CH3COO]- 296.15034 190.4
[M+Na-2H]- 258.11116 160.3
[M]+ 237.13594 157.2
[M]- 237.13704 157.2
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