CID 10534891

155836-78-5

Structural Information

Molecular Formula
C9H18N2
SMILES
C[C@@H]1CN[C@H](CN1CC=C)C
InChI
InChI=1S/C9H18N2/c1-4-5-11-7-8(2)10-6-9(11)3/h4,8-10H,1,5-7H2,2-3H3/t8-,9+/m0/s1
InChIKey
VKUXNUOPPQWDMV-DTWKUNHWSA-N
Compound name
(2R,5S)-2,5-dimethyl-1-prop-2-enylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

145
Patents

154.147 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.15428 138.0
[M+Na]+ 177.13622 144.2
[M-H]- 153.13972 136.8
[M+NH4]+ 172.18082 156.1
[M+K]+ 193.11016 141.3
[M+H-H2O]+ 137.14426 131.4
[M+HCOO]- 199.14520 154.3
[M+CH3COO]- 213.16085 176.5
[M+Na-2H]- 175.12167 141.3
[M]+ 154.14645 132.8
[M]- 154.14755 132.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe