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]+ 192.13829 142.7
[M+Na]+ 214.12023 146.9
[M-H]- 190.12373 148.4
[M+NH4]+ 209.16483 155.1
[M+K]+ 230.09417 148.1
[M+H-H2O]+ 174.12827 130.5
[M+HCOO]- 236.12921 164.0
[M+CH3COO]- 250.14486 189.9
[M+Na-2H]- 212.10568 146.1
[M]+ 191.13046 148.8
[M]- 191.13156 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