CID 9577285

Sin-1c

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1COCCN1/N=C/C#N
InChI
InChI=1S/C6H9N3O/c7-1-2-8-9-3-5-10-6-4-9/h2H,3-6H2/b8-2+
InChIKey
XMPLPXUYWIJXFL-KRXBUXKQSA-N
Compound name
(2E)-2-morpholin-4-yliminoacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

139.07455 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 123.6
[M+Na]+ 162.063768 131.1
[M-H]- 138.067274 126.3
[M+NH4]+ 157.108373 140.6
[M+K]+ 178.037708 131.2
[M+H-H2O]+ 122.071810 110.0
[M+HCOO]- 184.072751 142.0
[M+CH3COO]- 198.088401 188.0
[M+Na-2H]- 160.049216 131.9
[M]+ 139.07400142 116.2
[M]- 139.07509858 116.2
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