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]+ 192.13829 140.5
[M+Na]+ 214.12023 145.0
[M-H]- 190.12373 146.1
[M+NH4]+ 209.16483 153.0
[M+K]+ 230.09417 145.7
[M+H-H2O]+ 174.12827 128.4
[M+HCOO]- 236.12921 162.9
[M+CH3COO]- 250.14486 189.0
[M+Na-2H]- 212.10568 145.4
[M]+ 191.13046 147.3
[M]- 191.13156 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.