CID 4099958

2-methylbutanimidamide hydrochloride

Structural Information

Molecular Formula
C5H12N2
SMILES
CCC(C)C(=N)N
InChI
InChI=1S/C5H12N2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H3,6,7)
InChIKey
VEXJSFASSDRQRD-UHFFFAOYSA-N
Compound name
2-methylbutanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

100.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.107326 122.8
[M+Na]+ 123.089268 128.5
[M-H]- 99.092774 122.8
[M+NH4]+ 118.133873 145.1
[M+K]+ 139.063208 128.4
[M+H-H2O]+ 83.097310 117.9
[M+HCOO]- 145.098251 146.4
[M+CH3COO]- 159.113901 173.9
[M+Na-2H]- 121.074716 127.1
[M]+ 100.09950142 118.9
[M]- 100.10059858 118.9
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