CID 68163

Homopiperazine

Structural Information

Molecular Formula
C5H12N2
SMILES
C1CNCCNC1
InChI
InChI=1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
InChIKey
FQUYSHZXSKYCSY-UHFFFAOYSA-N
Compound name
1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

62
References

59504
Patents

100.10005 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 117.7
[M+Na]+ 123.08927 120.2
[M-H]- 99.092774 115.9
[M+NH4]+ 118.13387 134.8
[M+K]+ 139.06321 122.2
[M+H-H2O]+ 83.097310 110.6
[M+HCOO]- 145.09825 133.0
[M+CH3COO]- 159.11390 128.3
[M+Na-2H]- 121.07472 124.4
[M]+ 100.09950 106.0
[M]- 100.10060 106.0
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