CID 59701136

858036-16-5

Structural Information

Molecular Formula
C9H10ClNO
SMILES
C1CC1(CO)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C9H10ClNO/c10-8-2-1-7(5-11-8)9(6-12)3-4-9/h1-2,5,12H,3-4,6H2
InChIKey
BTAKPMQKLSAHFC-UHFFFAOYSA-N
Compound name
[1-(6-chloropyridin-3-yl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

183.04509 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.05237 135.8
[M+Na]+ 206.03431 146.8
[M-H]- 182.03781 140.9
[M+NH4]+ 201.07891 151.8
[M+K]+ 222.00825 142.7
[M+H-H2O]+ 166.04235 130.4
[M+HCOO]- 228.04329 153.7
[M+CH3COO]- 242.05894 179.9
[M+Na-2H]- 204.01976 143.7
[M]+ 183.04454 139.3
[M]- 183.04564 139.3
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