CID 154814549

2550997-49-2

Structural Information

Molecular Formula
C9H11ClN2
SMILES
CC1=NC(=C(C=C1)[C@@H]2C[C@H]2N)Cl
InChI
InChI=1S/C9H11ClN2/c1-5-2-3-6(9(10)12-5)7-4-8(7)11/h2-3,7-8H,4,11H2,1H3/t7-,8+/m0/s1
InChIKey
MVYHFEBXUOEQDS-JGVFFNPUSA-N
Compound name
(1R,2S)-2-(2-chloro-6-methylpyridin-3-yl)cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06108 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06836 136.2
[M+Na]+ 205.05030 147.8
[M-H]- 181.05380 142.3
[M+NH4]+ 200.09490 151.0
[M+K]+ 221.02424 142.4
[M+H-H2O]+ 165.05834 129.9
[M+HCOO]- 227.05928 155.8
[M+CH3COO]- 241.07493 187.0
[M+Na-2H]- 203.03575 141.5
[M]+ 182.06053 138.9
[M]- 182.06163 138.9
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.