CID 17206415

5-benzylamino-1-pentanol

Structural Information

Molecular Formula
C12H19NO
SMILES
C1=CC=C(C=C1)CNCCCCCO
InChI
InChI=1S/C12H19NO/c14-10-6-2-5-9-13-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2
InChIKey
YMNRQBMCCMQGSH-UHFFFAOYSA-N
Compound name
5-(benzylamino)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

193.14667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.153946 145.1
[M+Na]+ 216.135888 149.9
[M-H]- 192.139394 146.5
[M+NH4]+ 211.180493 163.5
[M+K]+ 232.109828 146.7
[M+H-H2O]+ 176.143930 138.6
[M+HCOO]- 238.144871 168.4
[M+CH3COO]- 252.160521 184.7
[M+Na-2H]- 214.121336 151.5
[M]+ 193.14612142 144.9
[M]- 193.14721858 144.9
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