CID 18002181

1-(cyclopropylmethyl)piperidin-4-one

Structural Information

Molecular Formula
C9H15NO
SMILES
C1CC1CN2CCC(=O)CC2
InChI
InChI=1S/C9H15NO/c11-9-3-5-10(6-4-9)7-8-1-2-8/h8H,1-7H2
InChIKey
WEGGUCATBXAQDP-UHFFFAOYSA-N
Compound name
1-(cyclopropylmethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

153.11537 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.122646 137.3
[M+Na]+ 176.104588 144.8
[M-H]- 152.108094 142.8
[M+NH4]+ 171.149193 152.1
[M+K]+ 192.078528 142.5
[M+H-H2O]+ 136.112630 130.0
[M+HCOO]- 198.113571 157.1
[M+CH3COO]- 212.129221 179.4
[M+Na-2H]- 174.090036 142.0
[M]+ 153.11482142 135.7
[M]- 153.11591858 135.7
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