CID 12724397

2-(ethylamino)-2-methylpropanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CCNC(C)(C)C#N
InChI
InChI=1S/C6H12N2/c1-4-8-6(2,3)5-7/h8H,4H2,1-3H3
InChIKey
HOFRQIRBOREDMY-UHFFFAOYSA-N
Compound name
2-(ethylamino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

112.10005 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 125.6
[M+Na]+ 135.08927 134.1
[M-H]- 111.09277 126.7
[M+NH4]+ 130.13387 146.1
[M+K]+ 151.06321 134.2
[M+H-H2O]+ 95.097310 114.9
[M+HCOO]- 157.09825 145.4
[M+CH3COO]- 171.11390 186.6
[M+Na-2H]- 133.07472 133.0
[M]+ 112.09950 120.7
[M]- 112.10060 120.7
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