CID 67185555

4-(cyclopropylmethoxy)-2-iodoaniline

Structural Information

Molecular Formula
C10H12INO
SMILES
C1CC1COC2=CC(=C(C=C2)N)I
InChI
InChI=1S/C10H12INO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2
InChIKey
MPJMGKDQACORFB-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)-2-iodoaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

288.99637 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.00365 147.6
[M+Na]+ 311.98559 150.1
[M-H]- 287.98909 147.9
[M+NH4]+ 307.03019 157.9
[M+K]+ 327.95953 152.4
[M+H-H2O]+ 271.99363 137.5
[M+HCOO]- 333.99457 167.4
[M+CH3COO]- 348.01022 195.3
[M+Na-2H]- 309.97104 141.4
[M]+ 288.99582 146.9
[M]- 288.99692 146.9
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

patents stripe