CID 98585

13156-01-9

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCC(CC1)N2CC(C2)O
InChI
InChI=1S/C9H17NO/c11-9-6-10(7-9)8-4-2-1-3-5-8/h8-9,11H,1-7H2
InChIKey
GPNSPIGRLLHVCN-UHFFFAOYSA-N
Compound name
1-cyclohexylazetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

155.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 131.3
[M+Na]+ 178.120228 134.7
[M-H]- 154.123734 134.2
[M+NH4]+ 173.164833 143.6
[M+K]+ 194.094168 136.1
[M+H-H2O]+ 138.128270 119.8
[M+HCOO]- 200.129211 147.4
[M+CH3COO]- 214.144861 177.3
[M+Na-2H]- 176.105676 135.3
[M]+ 155.13046142 133.3
[M]- 155.13155858 133.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe