CID 11170953

2-methylpentane-1,2-diamine

Structural Information

Molecular Formula
C6H16N2
SMILES
CCCC(C)(CN)N
InChI
InChI=1S/C6H16N2/c1-3-4-6(2,8)5-7/h3-5,7-8H2,1-2H3
InChIKey
XUDPMVLRRITCFQ-UHFFFAOYSA-N
Compound name
2-methylpentane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

116.13135 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.138626 127.5
[M+Na]+ 139.120568 133.4
[M-H]- 115.124074 126.9
[M+NH4]+ 134.165173 149.2
[M+K]+ 155.094508 132.8
[M+H-H2O]+ 99.128610 122.9
[M+HCOO]- 161.129551 150.4
[M+CH3COO]- 175.145201 175.8
[M+Na-2H]- 137.106016 133.3
[M]+ 116.13080142 124.5
[M]- 116.13189858 124.5
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