CID 136362

Butane-2,3-diamine dihydrochloride

Structural Information

Molecular Formula
C4H12N2
SMILES
CC(C(C)N)N
InChI
InChI=1S/C4H12N2/c1-3(5)4(2)6/h3-4H,5-6H2,1-2H3
InChIKey
GHWVXCQZPNWFRO-UHFFFAOYSA-N
Compound name
butane-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

10940
Patents

88.10005 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 120.0
[M+Na]+ 111.08927 125.9
[M-H]- 87.092774 119.6
[M+NH4]+ 106.13387 142.6
[M+K]+ 127.06321 126.3
[M+H-H2O]+ 71.097310 115.2
[M+HCOO]- 133.09825 143.1
[M+CH3COO]- 147.11390 171.1
[M+Na-2H]- 109.07472 123.7
[M]+ 88.099501 115.4
[M]- 88.100599 115.4
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