CID 4474585

Ethyl carbylamine

Structural Information

Molecular Formula
C3H6N
SMILES
CC[N+]#C
InChI
InChI=1S/C3H6N/c1-3-4-2/h2H,3H2,1H3/q+1
InChIKey
JEGVKBYNUPNGJU-UHFFFAOYSA-N
Compound name
ethyl(methylidyne)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

209
Patents

56.050026 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 57.057302 106.5
[M+Na]+ 79.039244 117.0
[M-H]- 55.042750 108.4
[M+NH4]+ 74.083849 129.2
[M+K]+ 95.013184 112.5
[M+H-H2O]+ 39.047286 99.2
[M+HCOO]- 101.04823 127.8
[M+CH3COO]- 115.06388 168.3
[M+Na-2H]- 77.024692 117.1
[M]+ 56.049477 100.9
[M]- 56.050575 100.9
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