CID 12839819

1-methoxy-3-methylbutan-2-amine

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)C(COC)N
InChI
InChI=1S/C6H15NO/c1-5(2)6(7)4-8-3/h5-6H,4,7H2,1-3H3
InChIKey
PVNWTJLUPPXWDT-UHFFFAOYSA-N
Compound name
1-methoxy-3-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

117.115364 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 127.6
[M+Na]+ 140.10458 133.5
[M-H]- 116.10809 127.5
[M+NH4]+ 135.14919 149.8
[M+K]+ 156.07852 134.3
[M+H-H2O]+ 100.11262 122.9
[M+HCOO]- 162.11356 150.0
[M+CH3COO]- 176.12922 175.0
[M+Na-2H]- 138.09003 131.2
[M]+ 117.11482 127.2
[M]- 117.11591 127.2
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