CID 276926

41063-31-4

Structural Information

Molecular Formula
C6H15NO
SMILES
CC(C)NCC(C)O
InChI
InChI=1S/C6H15NO/c1-5(2)7-4-6(3)8/h5-8H,4H2,1-3H3
InChIKey
RNFDZDMIFOFNMC-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

373
Patents

117.115364 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.12264 127.9
[M+Na]+ 140.10458 133.4
[M-H]- 116.10809 126.9
[M+NH4]+ 135.14919 149.6
[M+K]+ 156.07852 133.6
[M+H-H2O]+ 100.11262 123.4
[M+HCOO]- 162.11356 149.4
[M+CH3COO]- 176.12922 173.0
[M+Na-2H]- 138.09003 132.0
[M]+ 117.11482 126.5
[M]- 117.11591 126.5
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