CID 13128

2-methylpropylenediamine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

10
References

21987
Patents

88.10005 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.107326 118.3
[M+Na]+ 111.089268 125.1
[M-H]- 87.092774 118.1
[M+NH4]+ 106.133873 141.2
[M+K]+ 127.063208 125.0
[M+H-H2O]+ 71.097310 114.2
[M+HCOO]- 133.098251 141.9
[M+CH3COO]- 147.113901 169.6
[M+Na-2H]- 109.074716 125.3
[M]+ 88.09950142 114.6
[M]- 88.10059858 114.6
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