CID 65975347

1432680-73-3

Structural Information

Molecular Formula
C12H17NO
SMILES
C1C(CC1OCC2=CC=CC=C2)CN
InChI
InChI=1S/C12H17NO/c13-8-11-6-12(7-11)14-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKey
UETORNMTFRTONA-UHFFFAOYSA-N
Compound name
(3-phenylmethoxycyclobutyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 140.5
[M+Na]+ 214.120228 145.0
[M-H]- 190.123734 146.1
[M+NH4]+ 209.164833 153.0
[M+K]+ 230.094168 145.7
[M+H-H2O]+ 174.128270 128.4
[M+HCOO]- 236.129211 162.9
[M+CH3COO]- 250.144861 189.0
[M+Na-2H]- 212.105676 145.4
[M]+ 191.13046142 147.3
[M]- 191.13155858 147.3
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

No patent data available for this compound.