CID 11593463

388121-83-3

Structural Information

Molecular Formula
C9H16N2
SMILES
CN1CCN(CC1)CCC#C
InChI
InChI=1S/C9H16N2/c1-3-4-5-11-8-6-10(2)7-9-11/h1H,4-9H2,2H3
InChIKey
GZBWIJDICIGGKJ-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

152.13135 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.13863 129.8
[M+Na]+ 175.12057 137.5
[M-H]- 151.12407 128.3
[M+NH4]+ 170.16517 146.0
[M+K]+ 191.09451 134.6
[M+H-H2O]+ 135.12861 116.6
[M+HCOO]- 197.12955 142.2
[M+CH3COO]- 211.14520 185.9
[M+Na-2H]- 173.10602 134.0
[M]+ 152.13080 121.1
[M]- 152.13190 121.1
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