CID 4739633

27612-67-5

Structural Information

Molecular Formula
C9H18N2O
SMILES
C=CCN1CCN(CC1)CCO
InChI
InChI=1S/C9H18N2O/c1-2-3-10-4-6-11(7-5-10)8-9-12/h2,12H,1,3-9H2
InChIKey
OIIANXCKEGUVFK-UHFFFAOYSA-N
Compound name
2-(4-prop-2-enylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

170.1419 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 141.3
[M+Na]+ 193.13112 146.4
[M-H]- 169.13462 139.6
[M+NH4]+ 188.17572 158.3
[M+K]+ 209.10506 144.0
[M+H-H2O]+ 153.13916 134.1
[M+HCOO]- 215.14010 157.7
[M+CH3COO]- 229.15575 177.4
[M+Na-2H]- 191.11657 145.2
[M]+ 170.14135 137.2
[M]- 170.14245 137.2
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