CID 21029908

1403766-74-4

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC1(CCN(CC1)C2CNC2)O
InChI
InChI=1S/C9H18N2O/c1-9(12)2-4-11(5-3-9)8-6-10-7-8/h8,10,12H,2-7H2,1H3
InChIKey
JHDMLCYDWIQIGM-UHFFFAOYSA-N
Compound name
1-(azetidin-3-yl)-4-methylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

170.1419 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 140.4
[M+Na]+ 193.13112 144.2
[M-H]- 169.13462 140.8
[M+NH4]+ 188.17572 152.1
[M+K]+ 209.10506 144.8
[M+H-H2O]+ 153.13916 129.0
[M+HCOO]- 215.14010 153.6
[M+CH3COO]- 229.15575 177.1
[M+Na-2H]- 191.11657 144.4
[M]+ 170.14135 141.4
[M]- 170.14245 141.4
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