CID 1790018

4-benzylamino-1-butanol

Structural Information

Molecular Formula
C11H17NO
SMILES
C1=CC=C(C=C1)CNCCCCO
InChI
InChI=1S/C11H17NO/c13-9-5-4-8-12-10-11-6-2-1-3-7-11/h1-3,6-7,12-13H,4-5,8-10H2
InChIKey
SNRCGOVPZJPRQZ-UHFFFAOYSA-N
Compound name
4-(benzylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

179.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.13829 140.6
[M+Na]+ 202.12023 145.8
[M-H]- 178.12373 142.2
[M+NH4]+ 197.16483 159.6
[M+K]+ 218.09417 142.9
[M+H-H2O]+ 162.12827 134.3
[M+HCOO]- 224.12921 164.2
[M+CH3COO]- 238.14486 181.6
[M+Na-2H]- 200.10568 147.5
[M]+ 179.13046 140.0
[M]- 179.13156 140.0
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