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]+ 192.138286 142.6
[M+Na]+ 214.120228 146.8
[M-H]- 190.123734 147.5
[M+NH4]+ 209.164833 156.4
[M+K]+ 230.094168 147.0
[M+H-H2O]+ 174.128270 131.6
[M+HCOO]- 236.129211 164.2
[M+CH3COO]- 250.144861 185.7
[M+Na-2H]- 212.105676 149.6
[M]+ 191.13046142 148.5
[M]- 191.13155858 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