CID 165653355

2751614-92-1

Structural Information

Molecular Formula
C6H10ClNO
SMILES
C1C2(CC1(OC2)CN)Cl
InChI
InChI=1S/C6H10ClNO/c7-5-1-6(2-5,3-8)9-4-5/h1-4,8H2
InChIKey
IZQWICICBZUYFL-UHFFFAOYSA-N
Compound name
(4-chloro-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.04509 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.052366 131.3
[M+Na]+ 170.034308 139.5
[M-H]- 146.037814 133.0
[M+NH4]+ 165.078913 156.0
[M+K]+ 186.008248 139.4
[M+H-H2O]+ 130.042350 126.5
[M+HCOO]- 192.043291 145.9
[M+CH3COO]- 206.058941 144.9
[M+Na-2H]- 168.019756 141.5
[M]+ 147.04454142 144.5
[M]- 147.04563858 144.5
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.