CID 64986329

Cyclobutyl(2-methoxyphenyl)methanamine

Structural Information

Molecular Formula
C12H17NO
SMILES
COC1=CC=CC=C1C(C2CCC2)N
InChI
InChI=1S/C12H17NO/c1-14-11-8-3-2-7-10(11)12(13)9-5-4-6-9/h2-3,7-9,12H,4-6,13H2,1H3
InChIKey
QOUPCNKIBPQQJL-UHFFFAOYSA-N
Compound name
cyclobutyl-(2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 142.7
[M+Na]+ 214.120228 146.9
[M-H]- 190.123734 148.4
[M+NH4]+ 209.164833 155.1
[M+K]+ 230.094168 148.1
[M+H-H2O]+ 174.128270 130.5
[M+HCOO]- 236.129211 164.0
[M+CH3COO]- 250.144861 189.9
[M+Na-2H]- 212.105676 146.1
[M]+ 191.13046142 148.8
[M]- 191.13155858 148.8
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