CID 45791082

3-methylpentanimidamide hydrochloride

Structural Information

Molecular Formula
C6H14N2
SMILES
CCC(C)CC(=N)N
InChI
InChI=1S/C6H14N2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H3,7,8)
InChIKey
MONVAZUNBHXPRN-UHFFFAOYSA-N
Compound name
3-methylpentanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

114.1157 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.12298 127.4
[M+Na]+ 137.10492 132.7
[M-H]- 113.10842 127.2
[M+NH4]+ 132.14952 149.2
[M+K]+ 153.07886 132.4
[M+H-H2O]+ 97.112960 122.3
[M+HCOO]- 159.11390 150.7
[M+CH3COO]- 173.12955 176.9
[M+Na-2H]- 135.09037 131.1
[M]+ 114.11515 123.9
[M]- 114.11625 123.9
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