CID 16790004

954259-49-5

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1CC1C2=CC=C(O2)CNC3CC3
InChI
InChI=1S/C12H17NO/c1-8-6-11(8)12-5-4-10(14-12)7-13-9-2-3-9/h4-5,8-9,11,13H,2-3,6-7H2,1H3
InChIKey
HNYUESMNEYITJE-UHFFFAOYSA-N
Compound name
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.13101 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.4
[M+Na]+ 214.120228 151.2
[M-H]- 190.123734 153.8
[M+NH4]+ 209.164833 152.1
[M+K]+ 230.094168 149.8
[M+H-H2O]+ 174.128270 137.6
[M+HCOO]- 236.129211 164.9
[M+CH3COO]- 250.144861 198.3
[M+Na-2H]- 212.105676 147.0
[M]+ 191.13046142 148.1
[M]- 191.13155858 148.1
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.