CID 13514091

45813-02-3

Structural Information

Molecular Formula
C8H14N2
SMILES
CN1CCN(CC1)CC#C
InChI
InChI=1S/C8H14N2/c1-3-4-10-7-5-9(2)6-8-10/h1H,4-8H2,2H3
InChIKey
NOXAORINZJERRC-UHFFFAOYSA-N
Compound name
1-methyl-4-prop-2-ynylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

460
Patents

138.11569 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.12297 125.9
[M+Na]+ 161.10491 134.0
[M-H]- 137.10841 124.6
[M+NH4]+ 156.14951 142.7
[M+K]+ 177.07885 131.3
[M+H-H2O]+ 121.11295 112.9
[M+HCOO]- 183.11389 138.6
[M+CH3COO]- 197.12954 183.2
[M+Na-2H]- 159.09036 130.6
[M]+ 138.11514 116.9
[M]- 138.11624 116.9
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