CID 431752

Pivalamidine hcl

Structural Information

Molecular Formula
C5H12N2
SMILES
CC(C)(C)C(=N)N
InChI
InChI=1S/C5H12N2/c1-5(2,3)4(6)7/h1-3H3,(H3,6,7)
InChIKey
FNHMJTUQUPQWJN-UHFFFAOYSA-N
Compound name
2,2-dimethylpropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

815
Patents

100.10005 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.10733 121.8
[M+Na]+ 123.08927 128.3
[M-H]- 99.092774 122.1
[M+NH4]+ 118.13387 144.4
[M+K]+ 139.06321 128.2
[M+H-H2O]+ 83.097310 117.7
[M+HCOO]- 145.09825 144.9
[M+CH3COO]- 159.11390 172.5
[M+Na-2H]- 121.07472 128.0
[M]+ 100.09950 118.0
[M]- 100.10060 118.0
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