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
trans-(1R,2S)-2-(2-chloro-6-methyl-3-pyridinyl)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]+ 183.068356 136.2
[M+Na]+ 205.050298 147.8
[M-H]- 181.053804 142.3
[M+NH4]+ 200.094903 151.0
[M+K]+ 221.024238 142.4
[M+H-H2O]+ 165.058340 129.9
[M+HCOO]- 227.059281 155.8
[M+CH3COO]- 241.074931 187.0
[M+Na-2H]- 203.035746 141.5
[M]+ 182.06053142 138.9
[M]- 182.06162858 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.