CID 64759910

[1-(benzylamino)cyclobutyl]methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1CC(C1)(CO)NCC2=CC=CC=C2
InChI
InChI=1S/C12H17NO/c14-10-12(7-4-8-12)13-9-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2
InChIKey
YJNPDPPLKBYCET-UHFFFAOYSA-N
Compound name
[1-(benzylamino)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.13101 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.6
[M+Na]+ 214.12023 146.8
[M-H]- 190.12373 147.5
[M+NH4]+ 209.16483 156.4
[M+K]+ 230.09417 147.0
[M+H-H2O]+ 174.12827 131.6
[M+HCOO]- 236.12921 164.2
[M+CH3COO]- 250.14486 185.7
[M+Na-2H]- 212.10568 149.6
[M]+ 191.13046 148.5
[M]- 191.13156 148.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe