CID 29974

Piperazine-1,4-diamine;hydrate

Structural Information

Molecular Formula
C4H12N4
SMILES
C1CN(CCN1N)N
InChI
InChI=1S/C4H12N4/c5-7-1-2-8(6)4-3-7/h1-6H2
InChIKey
PVCOXMQIAVGPJN-UHFFFAOYSA-N
Compound name
piperazine-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1344
Patents

116.10619 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.113466 124.4
[M+Na]+ 139.095408 130.2
[M-H]- 115.098914 124.0
[M+NH4]+ 134.140013 143.2
[M+K]+ 155.069348 129.2
[M+H-H2O]+ 99.103450 117.3
[M+HCOO]- 161.104391 144.5
[M+CH3COO]- 175.120041 172.2
[M+Na-2H]- 137.080856 130.1
[M]+ 116.10564142 116.2
[M]- 116.10673858 116.2
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