CID 23006278

893639-28-6

Structural Information

Molecular Formula
C9H14N2O
SMILES
CNCC1=NOC2=C1CCCC2
InChI
InChI=1S/C9H14N2O/c1-10-6-8-7-4-2-3-5-9(7)12-11-8/h10H,2-6H2,1H3
InChIKey
WHFJWJYDAIHSKX-UHFFFAOYSA-N
Compound name
N-methyl-1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.11061 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 134.3
[M+Na]+ 189.099828 141.2
[M-H]- 165.103334 137.7
[M+NH4]+ 184.144433 154.9
[M+K]+ 205.073768 140.3
[M+H-H2O]+ 149.107870 127.9
[M+HCOO]- 211.108811 155.7
[M+CH3COO]- 225.124461 179.9
[M+Na-2H]- 187.085276 141.7
[M]+ 166.11006142 133.1
[M]- 166.11115858 133.1
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

No patent data available for this compound.