CID 21406123

3-(ethylamino)-2-methylpropanenitrile

Structural Information

Molecular Formula
C6H12N2
SMILES
CCNCC(C)C#N
InChI
InChI=1S/C6H12N2/c1-3-8-5-6(2)4-7/h6,8H,3,5H2,1-2H3
InChIKey
MEMSLHNPBLAMRW-UHFFFAOYSA-N
Compound name
3-(ethylamino)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

112.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.10733 123.7
[M+Na]+ 135.08927 131.6
[M-H]- 111.09277 124.6
[M+NH4]+ 130.13387 144.1
[M+K]+ 151.06321 131.7
[M+H-H2O]+ 95.097310 112.5
[M+HCOO]- 157.09825 144.0
[M+CH3COO]- 171.11390 187.1
[M+Na-2H]- 133.07472 129.7
[M]+ 112.09950 118.7
[M]- 112.10060 118.7
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