CID 117571133

2749338-11-0

Structural Information

Molecular Formula
C6H10N2
SMILES
CNCC1(CC1)C#N
InChI
InChI=1S/C6H10N2/c1-8-5-6(4-7)2-3-6/h8H,2-3,5H2,1H3
InChIKey
GKTSJZDCQBSLLA-UHFFFAOYSA-N
Compound name
1-(methylaminomethyl)cyclopropane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

110.0844 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 119.1
[M+Na]+ 133.073618 134.2
[M-H]- 109.077124 125.9
[M+NH4]+ 128.118223 138.7
[M+K]+ 149.047558 129.9
[M+H-H2O]+ 93.081660 111.1
[M+HCOO]- 155.082601 142.2
[M+CH3COO]- 169.098251 187.6
[M+Na-2H]- 131.059066 129.5
[M]+ 110.08385142 118.2
[M]- 110.08494858 118.2
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