CID 18712959

Schembl12535509

Structural Information

Molecular Formula
C9H19NO
SMILES
CN1CCCCC1CCCO
InChI
InChI=1S/C9H19NO/c1-10-7-3-2-5-9(10)6-4-8-11/h9,11H,2-8H2,1H3
InChIKey
HWWPNXULQJLWBJ-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-2-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

157.14667 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.15395 137.8
[M+Na]+ 180.13589 142.6
[M-H]- 156.13939 137.7
[M+NH4]+ 175.18049 156.8
[M+K]+ 196.10983 141.0
[M+H-H2O]+ 140.14393 131.6
[M+HCOO]- 202.14487 155.4
[M+CH3COO]- 216.16052 175.5
[M+Na-2H]- 178.12134 141.8
[M]+ 157.14612 133.9
[M]- 157.14722 133.9
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