CID 13313618

91595-79-8

Structural Information

Molecular Formula
C9H17NO
SMILES
CC1CCN(CC1)CC2CO2
InChI
InChI=1S/C9H17NO/c1-8-2-4-10(5-3-8)6-9-7-11-9/h8-9H,2-7H2,1H3
InChIKey
ZXECTFQQKBDZQX-UHFFFAOYSA-N
Compound name
4-methyl-1-(oxiran-2-ylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 138.0
[M+Na]+ 178.120228 145.4
[M-H]- 154.123734 144.2
[M+NH4]+ 173.164833 151.6
[M+K]+ 194.094168 144.8
[M+H-H2O]+ 138.128270 130.4
[M+HCOO]- 200.129211 156.7
[M+CH3COO]- 214.144861 180.2
[M+Na-2H]- 176.105676 143.6
[M]+ 155.13046142 137.7
[M]- 155.13155858 137.7
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